UCSF

ZINC11858083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 -5.79 -22.12 1 7 0 101 436.555 5
Hi High (pH 8-9.5) 3.67 -5.41 -56.63 0 7 -1 103 435.547 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )